scholarly journals Site symmetry approach applied to the supercell model of MgAl2O4 spinel with oxygen interstitials: Ab initio calculations

2018 ◽  
Vol 150 ◽  
pp. 517-523 ◽  
Author(s):  
Robert A. Evarestov ◽  
Alexander Platonenko ◽  
Yuri F. Zhukovskii
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Site Symmetry ◽  
Mgal2o4 Spinel ◽  
Symmetry Approach ◽  
Supercell Model

Site symmetry approach in the supercell model of carbon-doped ZnO bulk

2017 ◽  
Vol 682 ◽  
pp. 91-95 ◽  
Author(s):  
Robert A. Evarestov ◽  
Sergei Piskunov ◽  
Yuri F. Zhukovskii
Keyword(s):  
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Symmetry Approach ◽  
Doped Zno ◽  
Supercell Model

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors

2020 ◽  
Vol 55 (1) ◽  
pp. 108-113
Author(s):  
M. A. Mehrabova ◽  
H. S. Orujov ◽  
N. H. Hasanov ◽  
A. I. Kazimova ◽  
A. A. Abdullayeva
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Semimagnetic Semiconductors
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